Zhu, M.; Gu, C.; Cheng, Y.; Ju, X.; Bian, Y.; Yang, X.; Song, Y.; Ye, M.; Wang, F.; Jiang, X. Theoretical investigation of congener-specific soil sorption of polychlorinated biphenyls by DFT computation and potent QSAR analyses. J. Soil. Sediment. 2016, 17, 35–46.

Compound

	ID:	PCB-187
	Name:	2,2′,3,4′,5,5′,6-heptachloro-1,1'-biphenyl
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H

Properties

logKoc: Soil organic carbon normalized sorption coefficient i

Value	Source or prediction
6	experimental value
6.135	Eq.13: Model for soil organic carbon normalized sorption coefficient (Training set)